>compound Robinin_Robinin
#instrument UPLC Q-Tof Premier, Waters
>formula C33H40O19
#smiles [C@@H]([C@@H](O)5)(O)[C@@H](O[C@H](CO[C@@H]([C@H](O)6)O[C@H]([C@H](O)[C@H]6O)C)[C@@H]5O)OC(=C3c(c4)ccc(O)c4)C(c(c(O3)1)c(O)cc(O[C@H](O2)[C@@H]([C@H](O)[C@H]([C@@H]2C)O)O)c1)=O
#RECORD LC-ESI-QTOF_train_data/PR100242.txt;LC-ESI-QTOF_train_data/PR100661.txt;LC-ESI-QTOF_train_data/PR100660.txt
>charge 1
>ionization [M+H]+
>parentmass 741.22417

>collision 5-60
85.0295 282.1
287.0553 3323.0
433.1117 1375.0
595.1668 425.0
741.2242 382.1

>collision 30
283.0266 463.6
284.0338 1493.0
285.0416 1994.0
430.0913 1284.0
431.0996 374.6
593.1514 13960.0
739.2086 388.3

>collision 5-60
255.0327 587.7
283.0276 2249.0
284.036 2778.0
285.0446 2292.0
430.0951 862.9
593.1529 6189.0
739.2086 5059.0

